請問作煌,這個問題,怎么解決呀
Some, but not all WAVECAR header information was read as expected.Most probably, this means that your WAVECAR is not consistent with your vasprun.xml, so you could have mixed something up. Please restart your VASP calculation from scratch and try again. If the problem persists, you might have found a bug.terminate called after throwing an instance of 'std::runtime_error'
what(): WAVECAR inconsistent
Aborted (core dumped)
使用VASP和Lobster計算COHP和COOP說在前面 本教程適用于對VASP有初步掌握粟誓,會使用VASP進(jìn)行簡單計算。如果是純小白起意,請補(bǔ)充相關(guān)知識。 需要用到的軟件 VASP這不是廢話嗎揽咕,VASP教程不用VASP用什么。...